SCHEMBL3530588

SCHEMBL3530588

N#Cc1cc(F)c(Cl)nc1OCC(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KHK P50053 1/20 0.43
CNR1 P21554 10/20 0.40
CNR2 P34972 3/20 0.40
MBOAT4 Q96T53 2/20 0.37
SGK1 O00141 2/20 0.35
TRPV4 Q9HBA0 1/20 0.34
KDM4E B2RXH2 2/20 0.33
MAPT P10636 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
GLA P06280 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2523444 0.76 MBOAT4 (0.46) CNR1CNR2MBOAT4SGK1KDM4E
SCHEMBL20782303 0.76 CNR2 (0.43) CNR1CNR2MBOAT4SGK1
SCHEMBL3288328 0.75 ALDH1A1 (0.34) CNR2SGK1KDM4EMAPT
SCHEMBL3290433 0.72 KHK (0.44) KHKCNR1CNR2TRPV4KDM4E
SCHEMBL29448448 0.71 KHK (0.69) KHKTRPV4KDM4ETDP1
SCHEMBL29448447 0.71 KHK (0.69) KHKTRPV4KDM4ETDP1
SCHEMBL165776 0.71 KHK (0.69) KHKTRPV4KDM4ETDP1
SCHEMBL3288183 0.71 ALDH1A1 (0.43) TRPV4KDM4EMAPT
SCHEMBL3062400 0.70 ALDH1A1 (0.42) CNR1CNR2MBOAT4SGK1KDM4E
SCHEMBL564801 0.69 PDE4A (0.37) KHKCNR1CNR2KDM4EMAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8546374-B2 Amino-tetrazoles analogues and methods of use ABBVIE INC. (US) 2013-10-01 US disclosed
US-20120329772-A1 AMINO-TETRAZOLES ANALOGUES AND METHODS OF USE ABBOTT LABORATORIES (US) 2012-12-27 US disclosed
US-8217067-B2 Antiinflammatory agents, antidepressants, analgesics, purinergic receptor antagonists; neurodegenerative diseases, spinal cord injuries; 1-(2,3-dichlorophenyl)-N-[(2-methylphenyl)methyl]-1H-tetraazol-5-amine ABBOTT LABORATORIES (US) 2012-07-10 US disclosed
US-7704997-B1 Amino-tetrazole analogues and methods of use ABBOTT LABORATORIES (US) 2010-04-27 US disclosed
US-20070049584-A1 Amino-tetrazoles analogues and methods of use ABBVIE INC. 2007-03-01 US disclosed
EP-1747206-A1 AMINO-TETRAZOLES ANALOGUES AND METHODS OF USE ABBOTT LABORATORIES (US) 2007-01-31 EP disclosed
US-20060052374-A1 Amino-tetrazole analogues and methods of use ABBVIE INC. 2006-03-09 US disclosed
WO-2005111003-A1 AMINO-TETRAZOLES ANALOGUES AND METHODS OF USE ABBOTT LABORATORIES (US) 2005-11-24 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120329772-A1 AMINO-TETRAZOLES ANALOGUES AND METHODS OF USE P2RX7, P2RX2, P2RX5 KHK 2311/4885CNR1 98/4885CNR2 97/4885
US-20070049584-A1 Amino-tetrazoles analogues and methods of use P2RX7, P2RX2, P2RX5 KHK 2311/4885CNR1 98/4885CNR2 97/4885
US-20060052374-A1 Amino-tetrazole analogues and methods of use P2RX7, P2RX2, P2RX3 KHK 2254/4885CNR1 119/4885CNR2 112/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.